Geometry & MOs

Info

ID:	173892
PubChem CID:	75694180
Reduced:	N3O4C11H17 (1)
Stoich.:	A3B4C11D17 (1)
Weight, g/mol:	496.083291
ΔH_f, kcal/mol:	-175.47
Dipole, Da:	5.38
IP(EA), eV:	-9.54(0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[7-acetamido-6-(4-chlorophenyl)sulfanyl-2-(furan-2-yl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=C[NH2+]C=N1)C(=O)[O-]

DOS

IR

Vibrations